RASSCF Error: Proc_Inp failed unexpectedly.


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Posted by Muhammed on February 08, 2011 at 15:06:10:

Hello all,

I was trying out the examples in the manual, but when i run the example CASPT2.excited_solvent.acrolein( excited state in water for acrolein ) I get the following error after the module RASSCF starts. I couldnt find anything when I googled the result and manual doesnt say anything about PROC_INP, I guess this is not a common problem, what should I do, what can be the reason?

---------------------
Error exit 9920 from PROC_INP.
RASSCF Error: Proc_Inp failed unexpectedly.
Here is a printing of the input file that.
was processed:
&RASSCF

Spin

1

Nactel

6 0 0

Inactive

12

Ras2

5

CiRoot

1 1 1

End of Input


Memory allocation map at Finish
---------------------

FldNam VarTyp ID Length iPos
- - - - - - - - - - - - - - - - - - - - - - - - -
AW REAL 2 1***********
- - - - - - - - - - - - - - - - - - - - - - - - -
--- Stop Module: rasscf at Tue Feb 8 14:34:05 2011 /rc= _INPUT_ERROR_ ---

User input error

...................................................................................................
...................................................................................................
.....Sorry to interrupt the festivities, Dave, but I think we've got a problem.....................
.....It can only be attributable to human error....................................................
...................................................................................................

Non-zero return code - check program input/output
--- Stop Module: auto at Tue Feb 8 14:34:05 2011 /rc= _INPUT_ERROR_ ---

--------------


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